N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C29H28N4O3 — CID 68606892

IUPACN-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C29H28N4O3/c34-28(33-25-11-6-12-26(25)35-20-21-8-2-1-3-9-21)24-10-7-19-31-29(24)36-23-16-14-22(15-17-23)32-27-13-4-5-18-30-27/h1-5,7-10,13-19,25-26H,6,11-12,20H2,(H,30,32)(H,33,34)/t25-,26-/m0/s1
InChIKeyLUHUGXXXALTRNC-UIOOFZCWSA-N
MW480.57 g/mol
LogP5.88
Rot. Bonds9

About N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 68606892) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID68606892
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC NameN-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C29H28N4O3/c34-28(33-25-11-6-12-26(25)35-20-21-8-2-1-3-9-21)24-10-7-19-31-29(24)36-23-16-14-22(15-17-23)32-27-13-4-5-18-30-27/h1-5,7-10,13-19,25-26H,6,11-12,20H2,(H,30,32)(H,33,34)/t25-,26-/m0/s1
InChIKeyLUHUGXXXALTRNC-UIOOFZCWSA-N
XLogP5.88
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 16040289
CID 16040289
CID 16223106
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CID 9915752
CID 9915752
CID 10647341
CID 10647341
CID 10787790
CID 10787790
CID 71544354
CID 71544354
CID 89462922
CID 89462922
CID 1440879
CID 1440879
CID 464523
CID 464523
CID 464541
CID 464541
CID 465594
CID 465594
CID 25218728
CID 25218728

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 68606892) is N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is LUHUGXXXALTRNC-UIOOFZCWSA-N. The full InChI is InChI=1S/C29H28N4O3/c34-28(33-25-11-6-12-26(25)35-20-21-8-2-1-3-9-21)24-10-7-19-31-29(24)36-23-16-14-22(15-17-23)32-27-13-4-5-18-30-27/h1-5,7-10,13-19,25-26H,6,11-12,20H2,(H,30,32)(H,33,34)/t25-,26-/m0/s1.
What are the key properties of N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 5.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68606892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).