5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide

C17H22N6O — CID 90355303

IUPAC5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(NCC3(N)CC3)cnc2C(N)=O)c1
InChIInChI=1S/C17H22N6O/c1-10-5-11(2)22-14(6-10)23-13-7-12(8-20-15(13)16(18)24)21-9-17(19)3-4-17/h5-8,21H,3-4,9,19H2,1-2H3,(H2,18,24)(H,22,23)
InChIKeyZMPWABKGLZAGLE-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.84
Rot. Bonds6

About 5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide

5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 90355303) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
PubChem CID90355303
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(NCC3(N)CC3)cnc2C(N)=O)c1
InChIInChI=1S/C17H22N6O/c1-10-5-11(2)22-14(6-10)23-13-7-12(8-20-15(13)16(18)24)21-9-17(19)3-4-17/h5-8,21H,3-4,9,19H2,1-2H3,(H2,18,24)(H,22,23)
InChIKeyZMPWABKGLZAGLE-UHFFFAOYSA-N
XLogP1.84
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide (CID 90355303) is 5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide is Cc1cc(C)nc(Nc2cc(NCC3(N)CC3)cnc2C(N)=O)c1.
What is the InChIKey of 5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The InChIKey is ZMPWABKGLZAGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-10-5-11(2)22-14(6-10)23-13-7-12(8-20-15(13)16(18)24)21-9-17(19)3-4-17/h5-8,21H,3-4,9,19H2,1-2H3,(H2,18,24)(H,22,23).
What are the key properties of 5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopropyl)methylamino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 90355303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).