6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide

C24H21ClN4O3 — CID 169269389

IUPAC6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide
SMILESCc1cc([C@@H](C)Nc2ccc(Cl)nc2C(N)=O)c2oc(-c3cccnc3)c(C)c(=O)c2c1
InChIInChI=1S/C24H21ClN4O3/c1-12-9-16(14(3)28-18-6-7-19(25)29-20(18)24(26)31)23-17(10-12)21(30)13(2)22(32-23)15-5-4-8-27-11-15/h4-11,14,28H,1-3H3,(H2,26,31)/t14-/m1/s1
InChIKeyOAALTFFZLAGHPB-CQSZACIVSA-N
MW448.91 g/mol
LogP4.79
Rot. Bonds5

About 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide

6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide (PubChem CID 169269389) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide
PubChem CID169269389
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC Name6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide
SMILESCc1cc([C@@H](C)Nc2ccc(Cl)nc2C(N)=O)c2oc(-c3cccnc3)c(C)c(=O)c2c1
InChIInChI=1S/C24H21ClN4O3/c1-12-9-16(14(3)28-18-6-7-19(25)29-20(18)24(26)31)23-17(10-12)21(30)13(2)22(32-23)15-5-4-8-27-11-15/h4-11,14,28H,1-3H3,(H2,26,31)/t14-/m1/s1
InChIKeyOAALTFFZLAGHPB-CQSZACIVSA-N
XLogP4.79
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 169270702
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-hydroxypyridine-2-carboxamide
CID 169269774
6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-methoxypyridine-2-carboxamide
CID 169270791
8-[1-[(6-chloro-2-morpholin-4-yl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 169270487
6-chloro-3-[[(1R)-1-[2-(5-fluoro-3-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 169269724
5-chloro-2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]-N'-hydroxybenzenecarboximidamide
CID 169268904
6-chloro-N'-hydroxy-3-[1-[6-methyl-3-(1,2-oxazol-4-yl)-4-oxo-2-pyridin-3-ylchromen-8-yl]ethylamino]pyridine-2-carboximidamide
CID 174209321
3-[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 169270762
6-chloro-3-[[(1R)-1-[2-(3-ethynyl-2-fluorophenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]pyridine-2-carboxamide
CID 174170806
8-[(1R)-1-[[6-chloro-2-(1,3-oxazinan-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 169269139
3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one
CID 169269768
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 169269012

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide (CID 169269389) is 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide is Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C(N)=O)c2oc(-c3cccnc3)c(C)c(=O)c2c1.
What is the InChIKey of 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide?
The InChIKey is OAALTFFZLAGHPB-CQSZACIVSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-12-9-16(14(3)28-18-6-7-19(25)29-20(18)24(26)31)23-17(10-12)21(30)13(2)22(32-23)15-5-4-8-27-11-15/h4-11,14,28H,1-3H3,(H2,26,31)/t14-/m1/s1.
What are the key properties of 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide?
6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide has a molecular weight of 448.91 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 169269389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).