(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide

C17H27N5O — CID 129341635

IUPAC(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
SMILESCN(C)c1ccc(N[C@@H]2CCCN(C(=O)NC3CC3)CC2)cn1
InChIInChI=1S/C17H27N5O/c1-21(2)16-8-7-15(12-18-16)19-13-4-3-10-22(11-9-13)17(23)20-14-5-6-14/h7-8,12-14,19H,3-6,9-11H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyRRBFXJWRGOBPTP-CYBMUJFWSA-N
MW317.44 g/mol
LogP2.29
Rot. Bonds4

About (4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide

(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide (PubChem CID 129341635) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
PubChem CID129341635
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
SMILESCN(C)c1ccc(N[C@@H]2CCCN(C(=O)NC3CC3)CC2)cn1
InChIInChI=1S/C17H27N5O/c1-21(2)16-8-7-15(12-18-16)19-13-4-3-10-22(11-9-13)17(23)20-14-5-6-14/h7-8,12-14,19H,3-6,9-11H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyRRBFXJWRGOBPTP-CYBMUJFWSA-N
XLogP2.29
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(cyclopropylmethyl)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
CID 129330609
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129339460
[4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone
CID 129007738
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-4-methylsulfonylbutan-1-one
CID 129334031
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-(4-fluorophenoxy)ethanone
CID 124855086
[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 129335831
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-thiophen-2-ylethanone
CID 129336174
(2R)-1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 129337849
1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 129343155
(5S)-5-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 129343667
[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 129339517

Frequently Asked Questions

What is the IUPAC name of (4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide?
The IUPAC name of (4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide (CID 129341635) is (4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide.
What is the SMILES notation for (4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide?
The canonical SMILES for (4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide is CN(C)c1ccc(N[C@@H]2CCCN(C(=O)NC3CC3)CC2)cn1.
What is the InChIKey of (4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide?
The InChIKey is RRBFXJWRGOBPTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N5O/c1-21(2)16-8-7-15(12-18-16)19-13-4-3-10-22(11-9-13)17(23)20-14-5-6-14/h7-8,12-14,19H,3-6,9-11H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide?
(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide is sourced from PubChem (CID 129341635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).