N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide

C25H23N7O2 — CID 155216301

IUPACN-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cnc(N2CC(C)(N=O)C2)c(C#N)c1
InChIInChI=1S/C25H23N7O2/c1-15-21(19-7-18(10-26)23(29-11-19)32-13-25(2,14-32)31-34)9-20(12-28-15)30-24(33)17-5-6-27-22(8-17)16-3-4-16/h5-9,11-12,16H,3-4,13-14H2,1-2H3,(H,30,33)
InChIKeyQDEORUKWBZVMBU-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.19
Rot. Bonds6

About N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide

N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide (PubChem CID 155216301) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide
PubChem CID155216301
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC NameN-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cnc(N2CC(C)(N=O)C2)c(C#N)c1
InChIInChI=1S/C25H23N7O2/c1-15-21(19-7-18(10-26)23(29-11-19)32-13-25(2,14-32)31-34)9-20(12-28-15)30-24(33)17-5-6-27-22(8-17)16-3-4-16/h5-9,11-12,16H,3-4,13-14H2,1-2H3,(H,30,33)
InChIKeyQDEORUKWBZVMBU-UHFFFAOYSA-N
XLogP4.19
TPSA124.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide with MolForge

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Related Compounds

N-[5-[5-cyano-6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-sulfanylbenzamide
CID 155216156
N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide
CID 130405002
N-[5-(5-chloro-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide
CID 168930712
(Z,2E)-4-amino-2-(aminomethylidene)-5-cyano-N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-methylhex-3-enamide
CID 155216151
2-cyclopropyl-N-[6-methyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide
CID 169024758
N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 130405036
N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130417877
N-[5-[5-cyano-6-(2-oxo-1-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130405140
N-[5-[5-cyano-6-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 130405112
N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 130417974
2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 90460391
N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130405023

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide?
The IUPAC name of N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide (CID 155216301) is N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide?
The canonical SMILES for N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cnc(N2CC(C)(N=O)C2)c(C#N)c1.
What is the InChIKey of N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide?
The InChIKey is QDEORUKWBZVMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-15-21(19-7-18(10-26)23(29-11-19)32-13-25(2,14-32)31-34)9-20(12-28-15)30-24(33)17-5-6-27-22(8-17)16-3-4-16/h5-9,11-12,16H,3-4,13-14H2,1-2H3,(H,30,33).
What are the key properties of N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide?
N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-cyano-6-(3-methyl-3-nitrosoazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide is sourced from PubChem (CID 155216301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).