N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide

C22H21ClN8O — CID 86279235

IUPACN-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
SMILESCc1cnc2c(c1)nnn2-c1ccc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)nc1
InChIInChI=1S/C22H21ClN8O/c1-14-10-19-21(27-11-14)31(29-28-19)16-6-7-18(26-13-16)22(32)30(15-4-2-8-24-12-15)20-17(23)5-3-9-25-20/h3,5-7,9-11,13,15,24H,2,4,8,12H2,1H3/t15-/m1/s1
InChIKeyUVVXRMZCPKQLAO-OAHLLOKOSA-N
MW448.92 g/mol
LogP2.97
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide

N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 86279235) has the molecular formula C22H21ClN8O and a molecular weight of 448.92 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
PubChem CID86279235
Molecular FormulaC22H21ClN8O
Molecular Weight448.92 g/mol
Exact Mass448.15
IUPAC NameN-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
SMILESCc1cnc2c(c1)nnn2-c1ccc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)nc1
InChIInChI=1S/C22H21ClN8O/c1-14-10-19-21(27-11-14)31(29-28-19)16-6-7-18(26-13-16)22(32)30(15-4-2-8-24-12-15)20-17(23)5-3-9-25-20/h3,5-7,9-11,13,15,24H,2,4,8,12H2,1H3/t15-/m1/s1
InChIKeyUVVXRMZCPKQLAO-OAHLLOKOSA-N
XLogP2.97
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.92
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide (CID 86279235) is N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide is Cc1cnc2c(c1)nnn2-c1ccc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)nc1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is UVVXRMZCPKQLAO-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21ClN8O/c1-14-10-19-21(27-11-14)31(29-28-19)16-6-7-18(26-13-16)22(32)30(15-4-2-8-24-12-15)20-17(23)5-3-9-25-20/h3,5-7,9-11,13,15,24H,2,4,8,12H2,1H3/t15-/m1/s1.
What are the key properties of N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?
N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 448.92 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-5-(6-methyltriazolo[4,5-b]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 86279235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).