2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide

C24H26N4O3 — CID 126644691

IUPAC2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(CO)nc2)cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C24H26N4O3/c25-23-20(11-18(13-27-23)17-9-10-19(14-29)26-12-17)24(30)28-21-7-4-8-22(21)31-15-16-5-2-1-3-6-16/h1-3,5-6,9-13,21-22,29H,4,7-8,14-15H2,(H2,25,27)(H,28,30)/t21-,22-/m0/s1
InChIKeySDZOULNKJGWLJC-VXKWHMMOSA-N
MW418.50 g/mol
LogP3.09
Rot. Bonds7

About 2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide

2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide (PubChem CID 126644691) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
PubChem CID126644691
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(CO)nc2)cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C24H26N4O3/c25-23-20(11-18(13-27-23)17-9-10-19(14-29)26-12-17)24(30)28-21-7-4-8-22(21)31-15-16-5-2-1-3-6-16/h1-3,5-6,9-13,21-22,29H,4,7-8,14-15H2,(H2,25,27)(H,28,30)/t21-,22-/m0/s1
InChIKeySDZOULNKJGWLJC-VXKWHMMOSA-N
XLogP3.09
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide (CID 126644691) is 2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide is Nc1ncc(-c2ccc(CO)nc2)cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide?
The InChIKey is SDZOULNKJGWLJC-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H26N4O3/c25-23-20(11-18(13-27-23)17-9-10-19(14-29)26-12-17)24(30)28-21-7-4-8-22(21)31-15-16-5-2-1-3-6-16/h1-3,5-6,9-13,21-22,29H,4,7-8,14-15H2,(H2,25,27)(H,28,30)/t21-,22-/m0/s1.
What are the key properties of 2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide?
2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[6-(hydroxymethyl)-3-pyridinyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 126644691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).