2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

C28H29N5O2 — CID 126644350

IUPAC2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NC3CCCC3OCc3ccccc3-c3ccccc3)c2)cn1
InChIInChI=1S/C28H29N5O2/c1-33-17-22(16-31-33)21-14-24(27(29)30-15-21)28(34)32-25-12-7-13-26(25)35-18-20-10-5-6-11-23(20)19-8-3-2-4-9-19/h2-6,8-11,14-17,25-26H,7,12-13,18H2,1H3,(H2,29,30)(H,32,34)
InChIKeyXKJZOFAVZNBDMT-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.60
Rot. Bonds7

About 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide (PubChem CID 126644350) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
PubChem CID126644350
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NC3CCCC3OCc3ccccc3-c3ccccc3)c2)cn1
InChIInChI=1S/C28H29N5O2/c1-33-17-22(16-31-33)21-14-24(27(29)30-15-21)28(34)32-25-12-7-13-26(25)35-18-20-10-5-6-11-23(20)19-8-3-2-4-9-19/h2-6,8-11,14-17,25-26H,7,12-13,18H2,1H3,(H2,29,30)(H,32,34)
InChIKeyXKJZOFAVZNBDMT-UHFFFAOYSA-N
XLogP4.60
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644513
2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(naphthalen-2-ylmethoxy)cyclopentyl]pyridine-3-carboxamide
CID 126644649
2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644284
2-amino-N-[(2S)-2-[(4-chlorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654151
2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654169
2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 171524959
2-amino-N-[(1S,2S)-2-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644119
2-amino-N-[(1S,2S)-2-[[4-[4-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644080
2-amino-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644105
2-amino-N-[(1S,2S)-2-[[4-[4-[[(3R)-3,4-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644514
2-amino-N-[(1S,2S)-2-[[4-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644932

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide (CID 126644350) is 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)NC3CCCC3OCc3ccccc3-c3ccccc3)c2)cn1.
What is the InChIKey of 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The InChIKey is XKJZOFAVZNBDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-33-17-22(16-31-33)21-14-24(27(29)30-15-21)28(34)32-25-12-7-13-26(25)35-18-20-10-5-6-11-23(20)19-8-3-2-4-9-19/h2-6,8-11,14-17,25-26H,7,12-13,18H2,1H3,(H2,29,30)(H,32,34).
What are the key properties of 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 126644350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).