N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide

C27H25N5O2S — CID 5272470

IUPACN-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
SMILESNc1nc(-c2ccc(NC(=O)CCN(C(=O)c3cccnc3)C3Cc4ccccc4C3)cc2)cs1
InChIInChI=1S/C27H25N5O2S/c28-27-31-24(17-35-27)18-7-9-22(10-8-18)30-25(33)11-13-32(26(34)21-6-3-12-29-16-21)23-14-19-4-1-2-5-20(19)15-23/h1-10,12,16-17,23H,11,13-15H2,(H2,28,31)(H,30,33)
InChIKeyHDUIZIPXTBPKTE-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.43
Rot. Bonds7

About N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide

N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide (PubChem CID 5272470) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
PubChem CID5272470
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC NameN-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
SMILESNc1nc(-c2ccc(NC(=O)CCN(C(=O)c3cccnc3)C3Cc4ccccc4C3)cc2)cs1
InChIInChI=1S/C27H25N5O2S/c28-27-31-24(17-35-27)18-7-9-22(10-8-18)30-25(33)11-13-32(26(34)21-6-3-12-29-16-21)23-14-19-4-1-2-5-20(19)15-23/h1-10,12,16-17,23H,11,13-15H2,(H2,28,31)(H,30,33)
InChIKeyHDUIZIPXTBPKTE-UHFFFAOYSA-N
XLogP4.43
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide (CID 5272470) is N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide is Nc1nc(-c2ccc(NC(=O)CCN(C(=O)c3cccnc3)C3Cc4ccccc4C3)cc2)cs1.
What is the InChIKey of N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide?
The InChIKey is HDUIZIPXTBPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c28-27-31-24(17-35-27)18-7-9-22(10-8-18)30-25(33)11-13-32(26(34)21-6-3-12-29-16-21)23-14-19-4-1-2-5-20(19)15-23/h1-10,12,16-17,23H,11,13-15H2,(H2,28,31)(H,30,33).
What are the key properties of N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide?
N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide has a molecular weight of 483.60 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 5272470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).