N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide

C20H19F2N5O2 — CID 155588732

IUPACN-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
SMILESO=C(Cc1ccc2cn[nH]c2c1)Nc1ccnc(C(=O)NC2CCCC2(F)F)c1
InChIInChI=1S/C20H19F2N5O2/c21-20(22)6-1-2-17(20)26-19(29)16-10-14(5-7-23-16)25-18(28)9-12-3-4-13-11-24-27-15(13)8-12/h3-5,7-8,10-11,17H,1-2,6,9H2,(H,24,27)(H,26,29)(H,23,25,28)
InChIKeyIHCBEGMZWDVVQZ-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.06
Rot. Bonds5

About N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide

N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 155588732) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
PubChem CID155588732
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC NameN-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
SMILESO=C(Cc1ccc2cn[nH]c2c1)Nc1ccnc(C(=O)NC2CCCC2(F)F)c1
InChIInChI=1S/C20H19F2N5O2/c21-20(22)6-1-2-17(20)26-19(29)16-10-14(5-7-23-16)25-18(28)9-12-3-4-13-11-24-27-15(13)8-12/h3-5,7-8,10-11,17H,1-2,6,9H2,(H,24,27)(H,26,29)(H,23,25,28)
InChIKeyIHCBEGMZWDVVQZ-UHFFFAOYSA-N
XLogP3.06
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide (CID 155588732) is N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide is O=C(Cc1ccc2cn[nH]c2c1)Nc1ccnc(C(=O)NC2CCCC2(F)F)c1.
What is the InChIKey of N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is IHCBEGMZWDVVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-20(22)6-1-2-17(20)26-19(29)16-10-14(5-7-23-16)25-18(28)9-12-3-4-13-11-24-27-15(13)8-12/h3-5,7-8,10-11,17H,1-2,6,9H2,(H,24,27)(H,26,29)(H,23,25,28).
What are the key properties of N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopentyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155588732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).