(4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one

C24H31N5O3 — CID 95834232

IUPAC(4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCCN1C[C@@H](C(=O)N2CCC(c3ccc(Nc4ccccn4)cn3)CC2)CC1=O
InChIInChI=1S/C24H31N5O3/c1-32-14-4-11-29-17-19(15-23(29)30)24(31)28-12-8-18(9-13-28)21-7-6-20(16-26-21)27-22-5-2-3-10-25-22/h2-3,5-7,10,16,18-19H,4,8-9,11-15,17H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyMPBUSUJHTHQRKY-IBGZPJMESA-N
MW437.54 g/mol
LogP2.81
Rot. Bonds8

About (4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95834232) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is (4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95834232
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name(4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCCN1C[C@@H](C(=O)N2CCC(c3ccc(Nc4ccccn4)cn3)CC2)CC1=O
InChIInChI=1S/C24H31N5O3/c1-32-14-4-11-29-17-19(15-23(29)30)24(31)28-12-8-18(9-13-28)21-7-6-20(16-26-21)27-22-5-2-3-10-25-22/h2-3,5-7,10,16,18-19H,4,8-9,11-15,17H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyMPBUSUJHTHQRKY-IBGZPJMESA-N
XLogP2.81
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one
CID 113182538
1-(2-methoxyethyl)-4-[4-(3-methylsulfonyl-2-pyridinyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 46954952
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124976016
7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 110224108
1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346317
4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 132778849
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 97104979
2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95813317
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 95834232) is (4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one is COCCCN1C[C@@H](C(=O)N2CCC(c3ccc(Nc4ccccn4)cn3)CC2)CC1=O.
What is the InChIKey of (4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MPBUSUJHTHQRKY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H31N5O3/c1-32-14-4-11-29-17-19(15-23(29)30)24(31)28-12-8-18(9-13-28)21-7-6-20(16-26-21)27-22-5-2-3-10-25-22/h2-3,5-7,10,16,18-19H,4,8-9,11-15,17H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 437.54 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-methoxypropyl)-4-[4-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95834232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).