N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

C20H23N9O2 — CID 121168568

IUPACN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)C1CN(c2cc(-n3cncn3)ncn2)C1
InChIInChI=1S/C20H23N9O2/c30-20(23-9-15-1-2-22-17(7-15)27-3-5-31-6-4-27)16-10-28(11-16)18-8-19(25-13-24-18)29-14-21-12-26-29/h1-2,7-8,12-14,16H,3-6,9-11H2,(H,23,30)
InChIKeyMOTLAYHYRJIDND-UHFFFAOYSA-N
MW421.47 g/mol
LogP0.04
Rot. Bonds6

About N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 121168568) has the molecular formula C20H23N9O2 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
PubChem CID121168568
Molecular FormulaC20H23N9O2
Molecular Weight421.47 g/mol
Exact Mass421.20
IUPAC NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)C1CN(c2cc(-n3cncn3)ncn2)C1
InChIInChI=1S/C20H23N9O2/c30-20(23-9-15-1-2-22-17(7-15)27-3-5-31-6-4-27)16-10-28(11-16)18-8-19(25-13-24-18)29-14-21-12-26-29/h1-2,7-8,12-14,16H,3-6,9-11H2,(H,23,30)
InChIKeyMOTLAYHYRJIDND-UHFFFAOYSA-N
XLogP0.04
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

(3R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 97428751
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119101015
N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168571
N-[(4-fluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600328
(2R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37350981
N-[(4-iodophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600709
N-(2-pyridin-4-ylethyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600551
(3R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 36885410
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 121168465
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90600518
1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 47047056
N-[3-(dimethylamino)propyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168316

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (CID 121168568) is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is O=C(NCc1ccnc(N2CCOCC2)c1)C1CN(c2cc(-n3cncn3)ncn2)C1.
What is the InChIKey of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The InChIKey is MOTLAYHYRJIDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O2/c30-20(23-9-15-1-2-22-17(7-15)27-3-5-31-6-4-27)16-10-28(11-16)18-8-19(25-13-24-18)29-14-21-12-26-29/h1-2,7-8,12-14,16H,3-6,9-11H2,(H,23,30).
What are the key properties of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 121168568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).