2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide

C24H25N7O2 — CID 22498883

IUPAC2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
SMILESCc1nnc(C(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccnc(N)c3)cc2)o1
InChIInChI=1S/C24H25N7O2/c1-15-30-31-23(33-15)24(2,3)17-6-8-18(9-7-17)29-22(32)19-5-4-11-27-21(19)28-14-16-10-12-26-20(25)13-16/h4-13H,14H2,1-3H3,(H2,25,26)(H,27,28)(H,29,32)
InChIKeyBNLKXYJTPCBGEV-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.94
Rot. Bonds7

About 2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide

2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 22498883) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID22498883
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
SMILESCc1nnc(C(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccnc(N)c3)cc2)o1
InChIInChI=1S/C24H25N7O2/c1-15-30-31-23(33-15)24(2,3)17-6-8-18(9-7-17)29-22(32)19-5-4-11-27-21(19)28-14-16-10-12-26-20(25)13-16/h4-13H,14H2,1-3H3,(H2,25,26)(H,27,28)(H,29,32)
InChIKeyBNLKXYJTPCBGEV-UHFFFAOYSA-N
XLogP3.94
TPSA131.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249419
2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 10045076
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 67052446
2-[[2-(3-morpholin-4-ylpropylamino)-4-pyridinyl]methylamino]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide
CID 150839335
2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide
CID 22249252
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
2-[(4-tert-butylphenyl)methylamino]-N-[3-[3-(dimethylamino)propyl]-4-fluorophenyl]pyridine-3-carboxamide
CID 10226632
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-[3-(fluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907405
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide (CID 22498883) is 2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide is Cc1nnc(C(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccnc(N)c3)cc2)o1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is BNLKXYJTPCBGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-15-30-31-23(33-15)24(2,3)17-6-8-18(9-7-17)29-22(32)19-5-4-11-27-21(19)28-14-16-10-12-26-20(25)13-16/h4-13H,14H2,1-3H3,(H2,25,26)(H,27,28)(H,29,32).
What are the key properties of 2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide?
2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 22498883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).