N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide

C17H21N5O2 — CID 154783650

IUPACN,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide
SMILESCC(Cc1cccnc1)NC(=O)Nc1cc(C(=O)N(C)C)ccn1
InChIInChI=1S/C17H21N5O2/c1-12(9-13-5-4-7-18-11-13)20-17(24)21-15-10-14(6-8-19-15)16(23)22(2)3/h4-8,10-12H,9H2,1-3H3,(H2,19,20,21,24)
InChIKeyBJBHYEMJSPKAPP-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.93
Rot. Bonds5

About N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide

N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide (PubChem CID 154783650) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide
PubChem CID154783650
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide
SMILESCC(Cc1cccnc1)NC(=O)Nc1cc(C(=O)N(C)C)ccn1
InChIInChI=1S/C17H21N5O2/c1-12(9-13-5-4-7-18-11-13)20-17(24)21-15-10-14(6-8-19-15)16(23)22(2)3/h4-8,10-12H,9H2,1-3H3,(H2,19,20,21,24)
InChIKeyBJBHYEMJSPKAPP-UHFFFAOYSA-N
XLogP1.93
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide
CID 125157678
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792
N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
CID 125177536
2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide
CID 154787654
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450
2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 63011141
2-hydrazinyl-N,N-dimethylpyridine-4-carboxamide
CID 62236400
4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 125440095
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide (CID 154783650) is N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide is CC(Cc1cccnc1)NC(=O)Nc1cc(C(=O)N(C)C)ccn1.
What is the InChIKey of N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide?
The InChIKey is BJBHYEMJSPKAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(9-13-5-4-7-18-11-13)20-17(24)21-15-10-14(6-8-19-15)16(23)22(2)3/h4-8,10-12H,9H2,1-3H3,(H2,19,20,21,24).
What are the key properties of N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide?
N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 154783650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).