(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide

C19H30N4O2 — CID 125138699

IUPAC(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide
SMILESCN(C)[C@H]1CCCN(C(=O)Nc2ccc(OC3CCCC3)nc2)CC1
InChIInChI=1S/C19H30N4O2/c1-22(2)16-6-5-12-23(13-11-16)19(24)21-15-9-10-18(20-14-15)25-17-7-3-4-8-17/h9-10,14,16-17H,3-8,11-13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyPTHSKNVZRLRLQW-INIZCTEOSA-N
MW346.48 g/mol
LogP3.35
Rot. Bonds4

About (4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide

(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide (PubChem CID 125138699) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide.

Molecular Properties

Compound Name(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide
PubChem CID125138699
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide
SMILESCN(C)[C@H]1CCCN(C(=O)Nc2ccc(OC3CCCC3)nc2)CC1
InChIInChI=1S/C19H30N4O2/c1-22(2)16-6-5-12-23(13-11-16)19(24)21-15-9-10-18(20-14-15)25-17-7-3-4-8-17/h9-10,14,16-17H,3-8,11-13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyPTHSKNVZRLRLQW-INIZCTEOSA-N
XLogP3.35
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 125138727
4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide
CID 90854842
4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799121
6-cyclopentyloxy-N-[2-(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122298052
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 139021917
1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122084895
N-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-propoxypiperidine-1-carboxamide
CID 72846235
(4R)-4-[(4-aminopyrimidin-2-yl)methyl-methylamino]-N-(6-methyl-3-pyridinyl)azepane-1-carboxamide
CID 129334897
N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
CID 136536271
N-(3-chlorophenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798778

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide?
The IUPAC name of (4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide (CID 125138699) is (4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide.
What is the SMILES notation for (4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide?
The canonical SMILES for (4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide is CN(C)[C@H]1CCCN(C(=O)Nc2ccc(OC3CCCC3)nc2)CC1.
What is the InChIKey of (4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide?
The InChIKey is PTHSKNVZRLRLQW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22(2)16-6-5-12-23(13-11-16)19(24)21-15-9-10-18(20-14-15)25-17-7-3-4-8-17/h9-10,14,16-17H,3-8,11-13H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide?
(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide is sourced from PubChem (CID 125138699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).