2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide

C17H13Cl2N7O2 — CID 59618504

IUPAC2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2c2nn[nH]n2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl2N7O2/c18-11-2-1-3-12(19)14(11)17(28)21-8-4-5-20-13(6-8)22-16(27)10-7-9(10)15-23-25-26-24-15/h1-6,9-10H,7H2,(H,23,24,25,26)(H2,20,21,22,27,28)/t9-,10+/m1/s1
InChIKeySXPOSQNAHUKWLG-ZJUUUORDSA-N
MW418.24 g/mol
LogP2.90
Rot. Bonds5

About 2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide

2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide (PubChem CID 59618504) has the molecular formula C17H13Cl2N7O2 and a molecular weight of 418.24 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
PubChem CID59618504
Molecular FormulaC17H13Cl2N7O2
Molecular Weight418.24 g/mol
Exact Mass417.05
IUPAC Name2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2c2nn[nH]n2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl2N7O2/c18-11-2-1-3-12(19)14(11)17(28)21-8-4-5-20-13(6-8)22-16(27)10-7-9(10)15-23-25-26-24-15/h1-6,9-10H,7H2,(H,23,24,25,26)(H2,20,21,22,27,28)/t9-,10+/m1/s1
InChIKeySXPOSQNAHUKWLG-ZJUUUORDSA-N
XLogP2.90
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.24
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide (CID 59618504) is 2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide is O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2c2nn[nH]n2)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
The InChIKey is SXPOSQNAHUKWLG-ZJUUUORDSA-N. The full InChI is InChI=1S/C17H13Cl2N7O2/c18-11-2-1-3-12(19)14(11)17(28)21-8-4-5-20-13(6-8)22-16(27)10-7-9(10)15-23-25-26-24-15/h1-6,9-10H,7H2,(H,23,24,25,26)(H2,20,21,22,27,28)/t9-,10+/m1/s1.
What are the key properties of 2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide has a molecular weight of 418.24 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 59618504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).